2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide

C19H28N2O3S — CID 54786678

IUPAC2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide
SMILESCCCOc1ccc(CNC(=S)NC(=O)CC2CCCC2)cc1OC
InChIInChI=1S/C19H28N2O3S/c1-3-10-24-16-9-8-15(11-17(16)23-2)13-20-19(25)21-18(22)12-14-6-4-5-7-14/h8-9,11,14H,3-7,10,12-13H2,1-2H3,(H2,20,21,22,25)
InChIKeySXSQKZBUIOFOIS-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.56
Rot. Bonds8

About 2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide

2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide (PubChem CID 54786678) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide
PubChem CID54786678
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide
SMILESCCCOc1ccc(CNC(=S)NC(=O)CC2CCCC2)cc1OC
InChIInChI=1S/C19H28N2O3S/c1-3-10-24-16-9-8-15(11-17(16)23-2)13-20-19(25)21-18(22)12-14-6-4-5-7-14/h8-9,11,14H,3-7,10,12-13H2,1-2H3,(H2,20,21,22,25)
InChIKeySXSQKZBUIOFOIS-UHFFFAOYSA-N
XLogP3.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]tetradecanamide
CID 54791036
2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 54786541
N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-2-naphthalen-1-ylacetamide
CID 54777169
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
4-(2,4-dichlorophenoxy)-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]butanamide
CID 54777247
2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 55635162
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]benzamide
CID 54777257
3-iodo-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-4-methylbenzamide
CID 54777175
1-cyclopentyl-3-[(3,4-dimethoxyphenyl)methyl]thiourea
CID 19680174
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-cyclohexylurea
CID 46762304
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide
CID 60972004
3-cyclohexyl-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]propanamide
CID 55930556

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide (CID 54786678) is 2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide is CCCOc1ccc(CNC(=S)NC(=O)CC2CCCC2)cc1OC.
What is the InChIKey of 2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide?
The InChIKey is SXSQKZBUIOFOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-3-10-24-16-9-8-15(11-17(16)23-2)13-20-19(25)21-18(22)12-14-6-4-5-7-14/h8-9,11,14H,3-7,10,12-13H2,1-2H3,(H2,20,21,22,25).
What are the key properties of 2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide?
2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide has a molecular weight of 364.51 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]acetamide is sourced from PubChem (CID 54786678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).